1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine

C12H15ClFNO3S — CID 47134513

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine
SMILESCOC1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H15ClFNO3S/c1-18-9-4-6-15(7-5-9)19(16,17)10-2-3-12(14)11(13)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyZBCVPCJLHQKTGE-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.28
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine

1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine (PubChem CID 47134513) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine
PubChem CID47134513
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine
SMILESCOC1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H15ClFNO3S/c1-18-9-4-6-15(7-5-9)19(16,17)10-2-3-12(14)11(13)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyZBCVPCJLHQKTGE-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine (CID 47134513) is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine is COC1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine?
The InChIKey is ZBCVPCJLHQKTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c1-18-9-4-6-15(7-5-9)19(16,17)10-2-3-12(14)11(13)8-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine?
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine has a molecular weight of 307.77 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methoxypiperidine is sourced from PubChem (CID 47134513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).